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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/S9H/S9H_opt ts_f9_1ts1o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-4005.85942448; Eh
	29-Oct-2025	/self_act_st/self_act_st_opt sing_MECP_s8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	6-31G(D,P) GEN	-3185.30829130; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_opt 1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3607.4479145; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt s3h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1195.24483394; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/opt sh	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-398.891992002; Eh
	29-Oct-2025	/S9H/S9H_sp ts_f9_1ts2o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-4006.4134001; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4905848; Eh
	29-Oct-2025	/S8F/S8F_sp f8_1ts1o_2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3707.4244154; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp int2n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.95801998; Eh
	29-Oct-2025	/self_act_st_cycpr/self_act_st_cycpr_sp ts3o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.94136830; Eh

Results 2421-2430 of 2546 (Search time: 0.002 seconds).